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Provide the SMILES representation for the building block token <BB_550>.
|
Cl.N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1
|
|
What is the building block token for the following molecule?
|
Cl.N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1
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<BB_550>
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What is the molecular formula for <BB_550>?
|
The molecular formula for <BB_550> (Cl.N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1) is C8H17ClN2O2S.
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Describe the ring structures in building block <BB_550>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3.
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|
List the primary functional groups present in <BB_550>.
|
The molecule contains the following groups: Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Sulfonamide.
|
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Provide a comprehensive chemical profile for the building block <BB_550>.
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**Token:** <BB_550>
**SMILES:** Cl.N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1
**Molecular Formula:** C8H17ClN2O2S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Sulfonamide
|
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Provide the SMILES representation for the building block token <BB_551>.
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O=C(Cl)N1C[C@H]2CC[C@H]2C1
|
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What is the building block token for the following molecule?
|
O=C(Cl)N1C[C@H]2CC[C@H]2C1
|
<BB_551>
|
What is the molecular formula for <BB_551>?
|
The molecular formula for <BB_551> (O=C(Cl)N1C[C@H]2CC[C@H]2C1) is C7H10ClNO.
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Describe the ring structures in building block <BB_551>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4.
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|
List the primary functional groups present in <BB_551>.
|
The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I).
|
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Provide a comprehensive chemical profile for the building block <BB_551>.
|
**Token:** <BB_551>
**SMILES:** O=C(Cl)N1C[C@H]2CC[C@H]2C1
**Molecular Formula:** C7H10ClNO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_552>.
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Cc1cccc2[nH]c(CN)nc12.Cl
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What is the building block token for the following molecule?
|
Cc1cccc2[nH]c(CN)nc12.Cl
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<BB_552>
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What is the molecular formula for <BB_552>?
|
The molecular formula for <BB_552> (Cc1cccc2[nH]c(CN)nc12.Cl) is C9H12ClN3.
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Describe the ring structures in building block <BB_552>.
|
The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_552>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_552>.
|
**Token:** <BB_552>
**SMILES:** Cc1cccc2[nH]c(CN)nc12.Cl
**Molecular Formula:** C9H12ClN3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_553>.
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Cn1nc(Br)c2ncnc(Cl)c21
|
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What is the building block token for the following molecule?
|
Cn1nc(Br)c2ncnc(Cl)c21
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<BB_553>
|
What is the molecular formula for <BB_553>?
|
The molecular formula for <BB_553> (Cn1nc(Br)c2ncnc(Cl)c21) is C6H4BrClN4.
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Describe the ring structures in building block <BB_553>.
|
The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
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|
List the primary functional groups present in <BB_553>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
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Provide a comprehensive chemical profile for the building block <BB_553>.
|
**Token:** <BB_553>
**SMILES:** Cn1nc(Br)c2ncnc(Cl)c21
**Molecular Formula:** C6H4BrClN4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_554>.
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CCCC(C(=O)O)n1ccc(N)n1
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What is the building block token for the following molecule?
|
CCCC(C(=O)O)n1ccc(N)n1
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<BB_554>
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What is the molecular formula for <BB_554>?
|
The molecular formula for <BB_554> (CCCC(C(=O)O)n1ccc(N)n1) is C8H13N3O2.
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Describe the ring structures in building block <BB_554>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
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|
List the primary functional groups present in <BB_554>.
|
The molecule contains the following groups: Carboxylic Acid, Amine.
|
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Provide a comprehensive chemical profile for the building block <BB_554>.
|
**Token:** <BB_554>
**SMILES:** CCCC(C(=O)O)n1ccc(N)n1
**Molecular Formula:** C8H13N3O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amine
|
|
Provide the SMILES representation for the building block token <BB_555>.
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CCn1c(=O)ccc2cnc(SC)nc21
|
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What is the building block token for the following molecule?
|
CCn1c(=O)ccc2cnc(SC)nc21
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<BB_555>
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What is the molecular formula for <BB_555>?
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The molecular formula for <BB_555> (CCn1c(=O)ccc2cnc(SC)nc21) is C10H11N3OS.
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Describe the ring structures in building block <BB_555>.
|
The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_555>.
|
The molecule contains the following groups: Sulfide.
|
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Provide a comprehensive chemical profile for the building block <BB_555>.
|
**Token:** <BB_555>
**SMILES:** CCn1c(=O)ccc2cnc(SC)nc21
**Molecular Formula:** C10H11N3OS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Sulfide
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Provide the SMILES representation for the building block token <BB_556>.
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C#CCOCCC(=O)O
|
|
What is the building block token for the following molecule?
|
C#CCOCCC(=O)O
|
<BB_556>
|
What is the molecular formula for <BB_556>?
|
The molecular formula for <BB_556> (C#CCOCCC(=O)O) is C6H8O3.
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Describe the ring structures in building block <BB_556>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_556>.
|
The molecule contains the following groups: Carboxylic Acid, Ether.
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Provide a comprehensive chemical profile for the building block <BB_556>.
|
**Token:** <BB_556>
**SMILES:** C#CCOCCC(=O)O
**Molecular Formula:** C6H8O3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Ether
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Provide the SMILES representation for the building block token <BB_557>.
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Cc1nnc2n1CC(C(=O)O)C2.Cl
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What is the building block token for the following molecule?
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Cc1nnc2n1CC(C(=O)O)C2.Cl
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<BB_557>
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What is the molecular formula for <BB_557>?
|
The molecular formula for <BB_557> (Cc1nnc2n1CC(C(=O)O)C2.Cl) is C7H10ClN3O2.
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Describe the ring structures in building block <BB_557>.
|
The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_557>.
|
The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I).
|
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Provide a comprehensive chemical profile for the building block <BB_557>.
|
**Token:** <BB_557>
**SMILES:** Cc1nnc2n1CC(C(=O)O)C2.Cl
**Molecular Formula:** C7H10ClN3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_558>.
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O=C(O)CC(Br)CC(=O)O
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What is the building block token for the following molecule?
|
O=C(O)CC(Br)CC(=O)O
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<BB_558>
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What is the molecular formula for <BB_558>?
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The molecular formula for <BB_558> (O=C(O)CC(Br)CC(=O)O) is C5H7BrO4.
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Describe the ring structures in building block <BB_558>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_558>.
|
The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I).
|
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Provide a comprehensive chemical profile for the building block <BB_558>.
|
**Token:** <BB_558>
**SMILES:** O=C(O)CC(Br)CC(=O)O
**Molecular Formula:** C5H7BrO4
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_559>.
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COC(=O)c1ccn2nccc2c1Cl
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What is the building block token for the following molecule?
|
COC(=O)c1ccn2nccc2c1Cl
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<BB_559>
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What is the molecular formula for <BB_559>?
|
The molecular formula for <BB_559> (COC(=O)c1ccn2nccc2c1Cl) is C9H7ClN2O2.
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Describe the ring structures in building block <BB_559>.
|
The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_559>.
|
The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_559>.
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**Token:** <BB_559>
**SMILES:** COC(=O)c1ccn2nccc2c1Cl
**Molecular Formula:** C9H7ClN2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_560>.
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Cl.O=C1CNCCN1c1ccc(F)cc1
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What is the building block token for the following molecule?
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Cl.O=C1CNCCN1c1ccc(F)cc1
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<BB_560>
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What is the molecular formula for <BB_560>?
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The molecular formula for <BB_560> (Cl.O=C1CNCCN1c1ccc(F)cc1) is C10H12ClFN2O.
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Describe the ring structures in building block <BB_560>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_560>.
|
The molecule contains the following groups: Secondary Amine, Amide, Halogen (F,Cl,Br,I).
|
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Provide a comprehensive chemical profile for the building block <BB_560>.
|
**Token:** <BB_560>
**SMILES:** Cl.O=C1CNCCN1c1ccc(F)cc1
**Molecular Formula:** C10H12ClFN2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_561>.
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COC(=O)c1nc(C2CCNCC2)sc1C
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What is the building block token for the following molecule?
|
COC(=O)c1nc(C2CCNCC2)sc1C
|
<BB_561>
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What is the molecular formula for <BB_561>?
|
The molecular formula for <BB_561> (COC(=O)c1nc(C2CCNCC2)sc1C) is C11H16N2O2S.
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Describe the ring structures in building block <BB_561>.
|
The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_561>.
|
The molecule contains the following groups: Secondary Amine, Ester, Ether.
|
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Provide a comprehensive chemical profile for the building block <BB_561>.
|
**Token:** <BB_561>
**SMILES:** COC(=O)c1nc(C2CCNCC2)sc1C
**Molecular Formula:** C11H16N2O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ester, Ether
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Provide the SMILES representation for the building block token <BB_562>.
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N#Cc1cc(Br)ccc1O
|
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What is the building block token for the following molecule?
|
N#Cc1cc(Br)ccc1O
|
<BB_562>
|
What is the molecular formula for <BB_562>?
|
The molecular formula for <BB_562> (N#Cc1cc(Br)ccc1O) is C7H4BrNO.
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Describe the ring structures in building block <BB_562>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_562>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile.
|
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Provide a comprehensive chemical profile for the building block <BB_562>.
|
**Token:** <BB_562>
**SMILES:** N#Cc1cc(Br)ccc1O
**Molecular Formula:** C7H4BrNO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile
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Provide the SMILES representation for the building block token <BB_563>.
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Cn1nc([N+](=O)[O-])cc1C(=O)O
|
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What is the building block token for the following molecule?
|
Cn1nc([N+](=O)[O-])cc1C(=O)O
|
<BB_563>
|
What is the molecular formula for <BB_563>?
|
The molecular formula for <BB_563> (Cn1nc([N+](=O)[O-])cc1C(=O)O) is C5H5N3O4.
|
|
Describe the ring structures in building block <BB_563>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_563>.
|
The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Nitro.
|
|
Provide a comprehensive chemical profile for the building block <BB_563>.
|
**Token:** <BB_563>
**SMILES:** Cn1nc([N+](=O)[O-])cc1C(=O)O
**Molecular Formula:** C5H5N3O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Nitro
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|
Provide the SMILES representation for the building block token <BB_564>.
|
CCOC(OCC)c1ncc(Br)cn1
|
|
What is the building block token for the following molecule?
|
CCOC(OCC)c1ncc(Br)cn1
|
<BB_564>
|
What is the molecular formula for <BB_564>?
|
The molecular formula for <BB_564> (CCOC(OCC)c1ncc(Br)cn1) is C9H13BrN2O2.
|
|
Describe the ring structures in building block <BB_564>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_564>.
|
The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_564>.
|
**Token:** <BB_564>
**SMILES:** CCOC(OCC)c1ncc(Br)cn1
**Molecular Formula:** C9H13BrN2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_565>.
|
COCc1cc(N)ccc1Cl
|
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What is the building block token for the following molecule?
|
COCc1cc(N)ccc1Cl
|
<BB_565>
|
What is the molecular formula for <BB_565>?
|
The molecular formula for <BB_565> (COCc1cc(N)ccc1Cl) is C8H10ClNO.
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Describe the ring structures in building block <BB_565>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_565>.
|
The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_565>.
|
**Token:** <BB_565>
**SMILES:** COCc1cc(N)ccc1Cl
**Molecular Formula:** C8H10ClNO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_566>.
|
C1CO[C@H]2CCCN[C@H]2C1.Cl
|
|
What is the building block token for the following molecule?
|
C1CO[C@H]2CCCN[C@H]2C1.Cl
|
<BB_566>
|
What is the molecular formula for <BB_566>?
|
The molecular formula for <BB_566> (C1CO[C@H]2CCCN[C@H]2C1.Cl) is C8H16ClNO.
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Describe the ring structures in building block <BB_566>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
|
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